1-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-(1,3-thiazol-2-ylmethyl)urea

C10H14N6OS — CID 46995979

IUPAC1-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-(1,3-thiazol-2-ylmethyl)urea
SMILESCCc1nc(NC(=O)NCc2nccs2)nn1C
InChIInChI=1S/C10H14N6OS/c1-3-7-13-9(15-16(7)2)14-10(17)12-6-8-11-4-5-18-8/h4-5H,3,6H2,1-2H3,(H2,12,14,15,17)
InChIKeyKFXVREBQABQZPW-UHFFFAOYSA-N
MW266.33 g/mol
LogP1.16
Rot. Bonds4

About 1-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-(1,3-thiazol-2-ylmethyl)urea

1-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-(1,3-thiazol-2-ylmethyl)urea (PubChem CID 46995979) has the molecular formula C10H14N6OS and a molecular weight of 266.33 g/mol. Its IUPAC name is 1-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-(1,3-thiazol-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-(1,3-thiazol-2-ylmethyl)urea
PubChem CID46995979
Molecular FormulaC10H14N6OS
Molecular Weight266.33 g/mol
Exact Mass266.09
IUPAC Name1-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-(1,3-thiazol-2-ylmethyl)urea
SMILESCCc1nc(NC(=O)NCc2nccs2)nn1C
InChIInChI=1S/C10H14N6OS/c1-3-7-13-9(15-16(7)2)14-10(17)12-6-8-11-4-5-18-8/h4-5H,3,6H2,1-2H3,(H2,12,14,15,17)
InChIKeyKFXVREBQABQZPW-UHFFFAOYSA-N
XLogP1.16
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4,5-diethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 6471089
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 51084713
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 71892955
1-[(5-Cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-(1,3-thiazol-2-yl)urea
CID 75455847
N-[2-(1,3-thiazol-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 80371649
1-(2-Methyl-1,2,4-triazol-3-yl)-3-[2-(1,3-thiazol-2-yl)butan-2-yl]urea
CID 84592014
N-[1-(1,3-thiazol-2-yl)propyl]-3-(1H-1,2,4-triazol-1-yl)propanamide
CID 91783783
(1S)-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine
CID 97824557
3-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-1-methyl-1-(1,3-thiazol-2-ylmethyl)urea
CID 125438328
N-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-(1,3-thiazol-2-yl)propanamide
CID 132379059
1-(3-Tert-butyl-1,2,4-thiadiazol-5-yl)-3-(1,3-thiazol-2-ylmethyl)urea
CID 136526242
N-methyl-N-(1,3-thiazol-2-ylmethyl)-N'-{[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl}urea
CID 124205581

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-(1,3-thiazol-2-ylmethyl)urea?
The IUPAC name of 1-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-(1,3-thiazol-2-ylmethyl)urea (CID 46995979) is 1-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-(1,3-thiazol-2-ylmethyl)urea.
What is the SMILES notation for 1-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-(1,3-thiazol-2-ylmethyl)urea?
The canonical SMILES for 1-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-(1,3-thiazol-2-ylmethyl)urea is CCc1nc(NC(=O)NCc2nccs2)nn1C.
What is the InChIKey of 1-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-(1,3-thiazol-2-ylmethyl)urea?
The InChIKey is KFXVREBQABQZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6OS/c1-3-7-13-9(15-16(7)2)14-10(17)12-6-8-11-4-5-18-8/h4-5H,3,6H2,1-2H3,(H2,12,14,15,17).
What are the key properties of 1-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-(1,3-thiazol-2-ylmethyl)urea?
1-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-(1,3-thiazol-2-ylmethyl)urea has a molecular weight of 266.33 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-(1,3-thiazol-2-ylmethyl)urea is sourced from PubChem (CID 46995979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).